SCHEMBL10346221

SCHEMBL10346221

CCCCCCCCCCCOc1cnc(-c2ccc(OC(=O)[C@@H](C)CC)cc2)nc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RARB P10826 4/20 0.49
▸ NPC1 O15118 8/20 0.48
▸ SMN1; SMN2 Q16637 4/20 0.48
▸ LMNA P02545 4/20 0.48
▸ NFKB1 P19838 3/20 0.48
▸ NFKB2 Q00653 3/20 0.48
▸ RELA Q04206 3/20 0.48
▸ RAB9A P51151 5/20 0.48
▸ KDM4E B2RXH2 2/20 0.48
▸ HSD17B10 Q99714 2/20 0.48
▸ MAPT P10636 2/20 0.47
▸ POLB P06746 1/20 0.47
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46

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
SCHEMBL9239280 1.00 RARB (0.49) RARBNPC1SMN1; SMN2LMNANFKB1
SCHEMBL9236255 1.00 RARB (0.49) RARBNPC1SMN1; SMN2LMNANFKB1
SCHEMBL9234027 1.00 RARB (0.49) RARBNPC1SMN1; SMN2LMNANFKB1
SCHEMBL9235748 1.00 RARB (0.49) RARBNPC1SMN1; SMN2LMNANFKB1
SCHEMBL9239250 1.00 RARB (0.49) RARBNPC1SMN1; SMN2LMNANFKB1
SCHEMBL10666675 1.00 RARB (0.49) RARBNPC1SMN1; SMN2LMNANFKB1
SCHEMBL9233156 1.00 RARB (0.49) RARBNPC1SMN1; SMN2LMNANFKB1
SCHEMBL9239829 1.00 RARB (0.49) RARBNPC1SMN1; SMN2LMNANFKB1
SCHEMBL9240040 0.99 NPC1 (0.49) RARBNPC1SMN1; SMN2LMNANFKB1
SCHEMBL9234302 0.96 NPC1 (0.51) RARBNPC1SMN1; SMN2LMNANFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4725688-A PHENYLPYRIMIDINE DERIVATIVES; FERROELECTRIC SMECTIC HIGH-SPEED RESPONSE OVER BROAD TEMPERATURE RANGE SEIKO INSTRUMENTS INC. (JP) 1988-02-16 — — US claimed
JP-61200972-A — — None — — JP disclosed
EP-0191860-B1 LIQUID CRYSTAL COMPOUND SEIKO INSTRUMENTS INC. (JP) 1990-04-18 — — EP disclosed
US-4725688-A PHENYLPYRIMIDINE DERIVATIVES; FERROELECTRIC SMECTIC HIGH-SPEED RESPONSE OVER BROAD TEMPERATURE RANGE SEIKO INSTRUMENTS INC. (JP) 1988-02-16 — — US disclosed
JP-S61200972-A LIQUID CRYSTAL COMPOUND TEIKOKU CHEM IND CORP LTD 1986-09-05 — — JP disclosed
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