SCHEMBL7755033

SCHEMBL7755033

C[C@]12CC[C@@H]3c4ccc(OCCCl)cc4CC[C@H]3[C@@H]1CCC2=O

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 4/20 0.74
KDM4E B2RXH2 2/20 0.74
LMNA P02545 2/20 0.74
MAPT P10636 2/20 0.74
ALDH1A1 P00352 1/20 0.74
RECQL P46063 1/20 0.74
SMN1; SMN2 Q16637 1/20 0.74
STS P08842 9/20 0.70
CA1 P00915 3/20 0.69
CA2 P00918 3/20 0.69
CA9 Q16790 3/20 0.69
ESR1 P03372 2/20 0.69
ESR2 Q92731 2/20 0.69
ABCC4 O15439 1/20 0.69
CYP2C9 P11712 1/20 0.69
ABCC1 P33527 1/20 0.69
SLCO1B1 Q9Y6L6 1/20 0.69
CA4 P22748 1/20 0.69
CA6 P23280 1/20 0.69
CYP3A4 P08684 3/20 0.65

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
SCHEMBL10134113 0.92 HSD17B1 (0.74) HSD17B1KDM4ELMNAMAPTALDH1A1
SCHEMBL11672003 0.92 HSD17B1 (0.74) HSD17B1KDM4ELMNAMAPTALDH1A1
SCHEMBL14044784 0.92 HSD17B1 (0.74) HSD17B1KDM4ELMNAMAPTALDH1A1
SCHEMBL6691697 0.92 HSD17B1 (0.74) HSD17B1KDM4ELMNAMAPTALDH1A1
SCHEMBL6696320 0.91 HSD17B1 (0.77) HSD17B1KDM4ELMNAMAPTALDH1A1
SCHEMBL9633204 0.90 KDM4E (0.75) HSD17B1KDM4ELMNAMAPTALDH1A1
SCHEMBL14377634 0.90 KDM4E (0.72) HSD17B1KDM4ELMNAMAPTALDH1A1
SCHEMBL5527434 0.89 HSD17B1 (0.78) HSD17B1KDM4ELMNAMAPTALDH1A1
SCHEMBL11671118 0.89 HSD17B1 (0.78) HSD17B1KDM4ELMNAMAPTALDH1A1
SCHEMBL7750380 0.89 KDM4E (0.71) HSD17B1KDM4ELMNAMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0643071-B1 COMPOUND FOR INHIBITING BONE RESORPTION AND ACCELERATING OSTEOGENESIS ISKRA INDUSTRY CO LTD (JP) 2001-02-14 EP disclosed
US-6028207-A A TETRACYCLINE TYPE ANTIBIOTIC COVALENT BONDED WITH A STEROID TYPE HORMONE ESTROGEN HAS AN OSTEOGENESIS FUNCTION IN ADDITION TO A BONE RESORPTION INHIBITION, CAN CONCENTRATE ON THE BONE TISSUES ISKRA INDUSTRY CO., LTD. (JP) 2000-02-22 US disclosed
US-5760214-A NAPHTHACENE PIPERAZINE ESTROGEN STEROIDS FOR BONE DISORDERS ISKRA INDUSTRY CO., LTD. (JP) 1998-06-02 US disclosed
US-5698542-A COMPOUND COMPRISING TETRACYCLINE TYPE ANTIBIOTIC LINKED TO STEROID TYPE HORMONE ISKRA INDUSTRY CO., LTD. (JP) 1997-12-16 US disclosed
EP-0688787-A1 MEDICINAL COMPOSITION FOR BONE RESORPTION INHIBITION AND OSTEOGENESIS ACCELERATION ISKRA INDUSTRY CO., LTD. (JP) 1995-12-27 EP disclosed
EP-0643071-A1 COMPOUND FOR INHIBITING BONE RESORPTION AND ACCELERATING OSTEOGENESIS ISKRA INDUSTRY CO., LTD. (JP) 1995-03-15 EP disclosed