SCHEMBL7447285

SCHEMBL7447285

COc1cc(C(C)C)ccc(C2Sc3ccccc3N2CCc2ccccc2)c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ ALOX15 P16050 2/20 0.39
▸ POLB P06746 2/20 0.39
▸ HCRTR1 O43613 1/20 0.39
▸ HCRTR2 O43614 1/20 0.39
▸ LMNA P02545 1/20 0.38
▸ ADRA1D P25100 1/20 0.37
▸ ADRA1A P35348 1/20 0.37
▸ ADRA1B P35368 1/20 0.37
▸ MAPK1 P28482 1/20 0.36
▸ OPRK1 P41145 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ TP53 P04637 2/20 0.36
▸ HDAC4 P56524 1/20 0.35

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
SCHEMBL8805992 0.92 RAB9A (0.45) RAB9ASMN1; SMN2KDM4ENPC1ALDH1A1
SCHEMBL7449927 0.91 SMN1; SMN2 (0.43) RAB9ASMN1; SMN2KDM4ENPC1ALDH1A1
SCHEMBL7435479 0.89 SMPD1 (0.46) RAB9ASMN1; SMN2KDM4ENPC1ALDH1A1
SCHEMBL7442181 0.86 ALDH1A1 (0.42) RAB9ASMN1; SMN2KDM4ENPC1ALDH1A1
SCHEMBL8804534 0.85 KDM4E (0.41) RAB9ASMN1; SMN2KDM4ENPC1ALDH1A1
SCHEMBL7441237 0.84 ALDH1A1 (0.47) RAB9ASMN1; SMN2KDM4ENPC1ALDH1A1
SCHEMBL7493819 0.84 ALDH1A1 (0.44) RAB9ASMN1; SMN2KDM4ENPC1ALDH1A1
SCHEMBL7442622 0.84 SMN1; SMN2 (0.40) RAB9ASMN1; SMN2KDM4ENPC1ALDH1A1
SCHEMBL7436869 0.83 ALDH1A1 (0.40) RAB9ASMN1; SMN2KDM4ENPC1ALDH1A1
SCHEMBL7444167 0.82 ALDH1A1 (0.42) RAB9ASMN1; SMN2KDM4ENPC1ALDH1A1

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-0546102-B1 TROPOLONE DERIVATIVES AND PHARMACEUTICAL COMPOSITION THEREOF FOR PREVENTING AND TREATING ISCHEMIC DISEASES UPJOHN CO (US) 1997-10-15 — — EP claimed
WO-1992004338-A1 TROPOLONE DERIVATIVES AND PHARMACEUTICAL COMPOSITION THEREOF FOR PREVENTING AND TREATING ISCHEMIC DISEASES THE UPJOHN COMPANY (US) 1992-03-19 — — WO claimed
JP-4247077-A — — None — — JP disclosed
US-5703071-A Tropolone derivatives and pharmaceutical composition thereof for preventing and treating ischemic diseases PHARMACIA & UPJOHN COMPANY (US) 1997-12-30 — — US disclosed
EP-0546102-B1 TROPOLONE DERIVATIVES AND PHARMACEUTICAL COMPOSITION THEREOF FOR PREVENTING AND TREATING ISCHEMIC DISEASES UPJOHN CO (US) 1997-10-15 — — EP disclosed
US-5594144-A TREATING CEREBROVASCULAR AND CARDIOVASCULAR DISORDERS THE UPJOHN COMPANY (US) 1997-01-14 — — US disclosed
EP-0546102-A1 TROPOLONE DERIVATIVES AND PHARMACEUTICAL COMPOSITION THEREOF FOR PREVENTING AND TREATING ISCHEMIC DISEASES. UPJOHN CO (US) 1993-06-16 — — EP disclosed
JP-H04247077-A TROPOLONE DERIVATIVE AND MEDICINE FOR PREVENTING TREATING ISCHEMIC HEART DISEASES CONTAING THE SAME AS EFFECTIVE INGREDIENT UPJOHN CO:THE 1992-09-03 — — JP disclosed
WO-1992004338-A1 TROPOLONE DERIVATIVES AND PHARMACEUTICAL COMPOSITION THEREOF FOR PREVENTING AND TREATING ISCHEMIC DISEASES THE UPJOHN COMPANY (US) 1992-03-19 — — WO disclosed
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