SCHEMBL10815432

SCHEMBL10815432

CN(c1ccc(C(=O)c2ccccc2C(=O)O)cc1)C1CCCCCC1O

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 3/20 0.47
▸ CDC25B P30305 2/20 0.44
▸ ATM Q13315 1/20 0.44
▸ NR4A1 P22736 1/20 0.43
▸ SLC18A3 Q16572 3/20 0.42
▸ CDC25A P30304 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ TSHR P16473 1/20 0.40
▸ ABCC1 P33527 2/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ GLA P06280 1/20 0.39
▸ POLB P06746 1/20 0.38

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
SCHEMBL10993404 0.99 AKR1C3 (0.48) AKR1C3CDC25BATMNR4A1SLC18A3
SCHEMBL10815690 0.96 AKR1C3 (0.48) AKR1C3CDC25BATMNR4A1SLC18A3
SCHEMBL9416212 0.85 AKR1C3 (0.51) AKR1C3CDC25BATMNR4A1CDC25A
SCHEMBL10817844 0.81 AKR1C3 (0.45) AKR1C3CDC25BATMNR4A1SLC18A3
SCHEMBL3276187 0.78 SLC18A3 (0.58) SLC18A3ALDH1A1TSHRKDM4E
SCHEMBL3277996 0.78 SLC18A3 (0.58) SLC18A3ALDH1A1TSHRKDM4E
SCHEMBL3277994 0.78 SLC18A3 (0.58) SLC18A3ALDH1A1TSHRKDM4E
SCHEMBL3276190 0.78 SLC18A3 (0.58) SLC18A3ALDH1A1TSHRKDM4E
SCHEMBL3276186 0.78 SLC18A3 (0.58) SLC18A3ALDH1A1TSHRKDM4E
SCHEMBL8961737 0.78 SLC18A3 (0.58) SLC18A3ALDH1A1TSHRKDM4E

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-0112710-B1 FLUORAN DERIVATIVES KANZAKI PAPER MANUFACTURING CO., LTD (JP) 1987-08-26 — — EP disclosed
US-4536220-A PHOTOSTABILITY, DISCOLORATION INHIBITION KANZAKI PAPER MANUFACTURING CO., LTD. (JP) 1985-08-20 — — US disclosed
EP-0112710-A1 Fluoran derivatives KANZAKI PAPER MANUFACTURING CO., LTD (JP) 1984-07-04 — — EP disclosed
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