SCHEMBL15082572

SCHEMBL15082572

COc1c2ccccc2c(OC)c2cc(C(C)(C)OC(=O)N3CCCCC3)ccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 2/20 0.45
▸ MAPT P10636 3/20 0.43
▸ CYP1A2 P05177 3/20 0.43
▸ CYP2C19 P33261 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ RAB9A P51151 4/20 0.43
▸ SMN1; SMN2 Q16637 4/20 0.43
▸ NPC1 O15118 3/20 0.43
▸ HTT P42858 3/20 0.43
▸ HPGD P15428 3/20 0.43
▸ TDP1 Q9NUW8 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ CES2 O00748 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ NCEH1 Q6PIU2 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ TP53 P04637 1/20 0.37

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
SCHEMBL10186558 0.78 SMN1; SMN2 (0.51) NPSR1MAPTMEN1KMT2ARAB9A
SCHEMBL15082557 0.75 NPSR1 (0.46) NPSR1MAPTCYP1A2CYP2C19MEN1
SCHEMBL15082567 0.75 NPSR1 (0.46) NPSR1MAPTCYP1A2CYP2C19MEN1
SCHEMBL770152 0.74 SMN1; SMN2 (0.48) MAPTMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL15082565 0.74 NPSR1 (0.45) NPSR1MAPTCYP1A2CYP2C19MEN1
SCHEMBL15082564 0.73 MEN1 (0.45) NPSR1MAPTCYP1A2CYP2C19MEN1
SCHEMBL15082575 0.72 NPSR1 (0.44) NPSR1MAPTCYP1A2CYP2C19MEN1
SCHEMBL15082574 0.71 NPSR1 (0.43) NPSR1MAPTCYP1A2CYP2C19MEN1
SCHEMBL756092 0.70 ALDH1A1 (0.58) MAPTRAB9ASMN1; SMN2NPC1HTT
SCHEMBL29363850 0.70 ALDH1A1 (0.58) MAPTRAB9ASMN1; SMN2NPC1HTT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2615633-A1 COMPOSITION FOR WATER-REPELLENT TREATMENT OF SURFACE, AND METHOD FOR WATER-REPELLENT TREATMENT OF SURFACE OF SEMICONDUCTOR SUBSTRATE USING SAME Wako Pure Chemical Industries, Ltd. (JP) 2013-07-17 — — EP disclosed
US-20130171835-A1 COMPOSITION FOR WATER-REPELLENT TREATMENT OF SURFACE, AND METHOD FOR WATER-REPELLENT TREATMENT OF SURFACE OF SEMICONDUCTOR SUBSTRATE USING SAME WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2013-07-04 — — US disclosed
US-20130171835-A1 COMPOSITION FOR WATER-REPELLENT TREATMENT OF SURFACE, AND METHOD FOR WATER-REPELLENT TREATMENT OF SURFACE OF SEMICONDUCTOR SUBSTRATE USING SAME WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2013-07-04 — — US disclosed
Send feedback