SCHEMBL7574697

SCHEMBL7574697

CC(C)(C)c1cc(=O)c2cc(O)ccc2o1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 3/20 0.66
▸ STS P08842 1/20 0.56
▸ MAPT P10636 6/20 0.55
▸ CYP3A4 P08684 4/20 0.55
▸ NPC1 O15118 3/20 0.55
▸ RAB9A P51151 3/20 0.55
▸ HPGD P15428 3/20 0.55
▸ TP53 P04637 3/20 0.55
▸ SMN1; SMN2 Q16637 2/20 0.55
▸ LMNA P02545 1/20 0.55
▸ THRB P10828 1/20 0.55
▸ CASP3 P42574 1/20 0.55
▸ SENP8 Q96LD8 1/20 0.55
▸ SENP7 Q9BQF6 1/20 0.55
▸ SENP6 Q9GZR1 1/20 0.55
▸ IP6K2 Q9UHH9 1/20 0.55
▸ CSNK2A2 P19784 4/20 0.54
▸ CSNK2B P67870 4/20 0.54
▸ CSNK2A1 P68400 4/20 0.54
▸ CALM1 P0DP23 1/20 0.53

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8493156 0.87 ALOX15 (0.66) ALOX15MAPTCYP3A4HPGDTP53
SCHEMBL21623585 0.83 MAPT (0.55) ALOX15MAPTCYP3A4NPC1RAB9A
SCHEMBL23334588 0.81 MAPT (0.73) ALOX15STSMAPTCYP3A4NPC1
SCHEMBL12882254 0.80 ALOX15 (0.56) ALOX15STSMAPTNPC1RAB9A
SCHEMBL7574959 0.78 STS (0.64) ALOX15STSMAPTCYP3A4NPC1
SCHEMBL13656194 0.78 ALOX15 (0.54) ALOX15STSMAPTNPC1RAB9A
SCHEMBL22950970 0.77 CSNK2A2 (0.62) ALOX15MAPTCYP3A4NPC1RAB9A
SCHEMBL12867892 0.77 ALOX15 (0.57) ALOX15STSMAPTCYP3A4NPC1
SCHEMBL8870443 0.77 MAPT (0.55) ALOX15MAPTCYP3A4NPC1RAB9A
SCHEMBL11563475 0.75 ALOX15 (0.51) ALOX15STSMAPTHPGDALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6482950-B1 Squarylium compounds, and processes and intermediates for the synthesis of these compounds POLAROID CORPORATION 2002-11-19 — — US disclosed
EP-1070059-B1 CHROMANONE AND THIOCHROMANONE DERIVATIVES NOVARTIS AG (CH) 2002-09-25 — — EP disclosed
US-6346626-B1 DRUGS FOR TREATMENT OF SKIN DISORDERS SUCH AS ACNE, SEBORRHEA, ANDROGENIC ALOPECIA AND HIRSUTISM, OR IN THE TOPICAL TREATMENT OF SQUAMOUS CELL CARCINOMA NOVARTIS AG (CH) 2002-02-12 — — US disclosed
EP-1070059-A1 CHROMANONE AND THIOCHROMANONE DERIVATIVES Novartis AG (CH) 2001-01-24 — — EP disclosed
US-5977351-A Benzpyrylium squarylium and croconylium dyes, and processes for their preparation and use POLAROID CORPORATION (US) 1999-11-02 — — US disclosed
WO-1999052890-A1 CHROMANONE AND THIOCHROMANONE DERIVATIVES NOVARTIS AG (CH) 1999-10-21 — — WO disclosed
US-5919950-A SYNTHESIS OF SQUARATE DYES POLAROID CORPORATION (US) 1999-07-06 — — US disclosed
US-5795981-A DYES, OR CHEMICAL INTERMEDIATES THEREOF POLAROID CORPORATION (US) 1998-08-18 — — US disclosed
US-5656750-A Processes for the preparation of squarylium dyes POLAROID CORPORATION (US) 1997-08-12 — — US disclosed
US-5627014-A COMPOSITIONS FOR ABSORBERS OF HEAT WHILE COLORING POLAROID CORPORATION (US) 1997-05-06 — — US disclosed
EP-0613422-B1 SQUARYLIUM DYES POLAROID CORP (US) 1996-08-21 — — EP disclosed
US-5492795-A ABSORBING IR RAD TO GENERATE HEAT EFFECTING COLOR CHANGE IN SENSITIVE MATERIAL; AMINOCYCLOBUTENE BONDED TO PYRYLIUM, BENZPYRYLIUM. SELENOPYRYLIUM, BENZTHIOPYRYLIUM AND THIO-PYRYLIUM RINGS POLAROID CORPORATION (US) 1996-02-20 — — US disclosed
US-5354873-A Pyrylium, thiopyrylium and seleno dyes including a 1,2-dioxo-3 -aminocyclobut-3-ene group; near infrared absorption; increased solubility; charge transfer compounds; thermochromic POLAROID CORPORATION (US) 1994-10-11 — — US disclosed
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