SCHEMBL9242850

SCHEMBL9242850

CC(C)(C)c1ccc(Nc2ccc(Nc3ccc(C(C)(C)C)cc3)c3c2C(=O)c2ccccc2C3=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.50
▸ RAB9A P51151 2/20 0.50
▸ L3MBTL1 Q9Y468 2/20 0.50
▸ LMNA P02545 2/20 0.50
▸ MAPK1 P28482 2/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ PGAM1 P18669 1/20 0.49
▸ CYP1A2 P05177 2/20 0.49
▸ TSHR P16473 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ PLA2G1B P04054 1/20 0.49
▸ NFKB1 P19838 1/20 0.49
▸ CASP3 P42574 1/20 0.49
▸ NFKB2 Q00653 1/20 0.49
▸ RELA Q04206 1/20 0.49
▸ SENP8 Q96LD8 1/20 0.49

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
SCHEMBL28520560 0.94 RAB9A (0.50) NPC1RAB9AL3MBTL1LMNAMAPK1
SCHEMBL11536530 0.92 ADORA2A (0.51) NPC1RAB9AL3MBTL1LMNAMAPK1
SCHEMBL14489850 0.89 AKR1C3 (0.47) NPC1RAB9AL3MBTL1LMNAMAPK1
SCHEMBL13962363 0.88 AKR1C3 (0.48) NPC1RAB9AMAPK1MEN1MAPT
SCHEMBL28543816 0.87 MAPT (0.49) NPC1RAB9AL3MBTL1LMNAMAPK1
SCHEMBL11602174 0.83 MAPK1 (0.46) NPC1RAB9AL3MBTL1LMNAMAPK1
SCHEMBL35556 0.81 P2RY2 (0.60) NPC1RAB9AL3MBTL1LMNAMAPK1
SCHEMBL29352213 0.81 P2RY2 (0.60) NPC1RAB9AL3MBTL1LMNAMAPK1
SCHEMBL11605977 0.81 P2RY12 (0.57) NPC1RAB9AL3MBTL1LMNAMAPK1
SCHEMBL595104 0.81 P2RY12 (0.56) NPC1RAB9AL3MBTL1LMNAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0370316-B1 Cooling oil based on siloxane BAYER AG (DE) 1995-01-04 — — EP disclosed
US-5332521-A Ferroelectric liquid crystal composition, liquid crystal optical device produced by using the ferroelectric liquid crystal composition, and method of producing the liquid crystal optical device IDEMITSU KOSAN CO., LTD. (JP) 1994-07-26 — — US disclosed
EP-0352637-B1 Ferroelectric liquid crystal composition, liquid crystal optical device produced by using the ferroelectric liquid crystal composition, and method of producing the liquid crystal optical device IDEMITSU KOSAN CO (JP) 1994-03-30 — — EP disclosed
US-5273670-A Octamethyltrisiloxane and octamethylcyclotetrasiloxane decamethylcyclopentasiloxane; low temperatures of-86 C. to -130 C. BAYER AG (DE) 1993-12-28 — — US disclosed
US-5200108-A Flexible substrates supporting layer of liquid crystal material and non-liquid crystalline polymer IDEMITSU KOSAN CO., LTD. (JP) 1993-04-06 — — US disclosed
EP-0396971-A2 Stabilized polydiorganosiloxanes and their use in hydraulic applications BAYER AG (DE) 1990-11-14 — — EP disclosed
EP-0370316-A1 Cooling oil based on siloxane BAYER AG (DE) 1990-05-30 — — EP disclosed
EP-0352637-A2 Ferroelectric liquid crystal composition, liquid crystal optical device produced by using the ferroelectric liquid crystal composition, and method of producing the liquid crystal optical device IDEMITSU KOSAN COMPANY LIMITED (JP) 1990-01-31 — — EP disclosed
EP-0244617-A1 Age-resisting polysiloxanes BAYER AG (DE) 1987-11-11 — — EP disclosed
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