SCHEMBL8907648

SCHEMBL8907648

CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC([C@]56[C@@H](O)C[C@@]7(C)[C@@H](CC[C@]7(O)C(=O)CO)[C@@H]5CCC5=CC(=O)CC[C@@]56C)[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 5/20 0.56
ALDH1A1 P00352 5/20 0.51
MAPK1 P28482 4/20 0.51
HIF1A Q16665 7/20 0.48
CYP3A4 P08684 6/20 0.48
SMN1; SMN2 Q16637 6/20 0.48
CYP2C19 P33261 5/20 0.48
SERPINA6 P08185 5/20 0.48
LMNA P02545 5/20 0.48
MAPT P10636 4/20 0.48
TSHR P16473 4/20 0.48
SHBG P04278 4/20 0.48
PGR P06401 3/20 0.48
CYP2C9 P11712 2/20 0.48
NR3C2 P08235 2/20 0.48
KMT2A Q03164 2/20 0.48
PMP22 Q01453 2/20 0.48
ABCB11 O95342 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48

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
SCHEMBL2330386 0.93 NR3C1 (0.59) NR3C1ALDH1A1MAPK1HIF1ACYP3A4
SCHEMBL7766720 0.86 HIF1A (0.55) NR3C1ALDH1A1MAPK1HIF1ACYP3A4
SCHEMBL2981243 0.84 HSD17B10 (0.60) NR3C1ALDH1A1MAPK1HIF1ACYP3A4
SCHEMBL94105 0.84 HIF1A (0.63) NR3C1ALDH1A1MAPK1HIF1ACYP3A4
SCHEMBL28318620 0.83 HIF1A (0.60) NR3C1ALDH1A1MAPK1HIF1ACYP3A4
SCHEMBL24461 0.81 SERPINA6 (0.57) NR3C1ALDH1A1MAPK1HIF1ACYP3A4
SCHEMBL8061818 0.81 HIF1A (0.59) NR3C1ALDH1A1MAPK1HIF1ACYP3A4
SCHEMBL6370137 0.81 HIF1A (0.59) NR3C1ALDH1A1MAPK1HIF1ACYP3A4
SCHEMBL20575301 0.80 NR3C1 (0.56) NR3C1ALDH1A1MAPK1HIF1ACYP3A4
Butyric Acid SCHEMBL28142317 0.80 HIF1A (0.57) NR3C1ALDH1A1MAPK1HIF1ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117368380-B Kit and method for detecting steroid hormone 北京梅斯质谱生物科技有限责任公司 2024-03-01 CN disclosed
CN-117368380-A Kit and method for detecting steroid hormone 北京梅斯质谱生物科技有限责任公司 2024-01-09 CN disclosed
CN-101768203-B 5beta, 6beta epoxy steroidal compound and preparation method thereof ZHEJIANG XIANJU JUNYE PHARMACEUTICAL CO LTD 2012-11-28 CN disclosed
CN-101768203-A 5beta, 6beta epoxy steroidal compound and preparation method thereof ZHEJIANG XIANJU JUNYE PHARMACE 2010-07-07 CN disclosed
EP-0481443-B1 Transdermal therapeutic compositions VECTORPHARMA INT (IT) 1997-05-28 EP disclosed
US-5582836-A RIGID SUPPORTING SHEET WITH POLYMERIC FILM MATRIX SUSPENSION CONTAINING POROUS PARTICLES LOADED WITH DRUGS AND ABSORPTION PROMOTERS VECTORPHARMA INTERNATIONAL S.P.A. (IT) 1996-12-10 US disclosed
EP-0481443-A1 Transdermal therapeutic compositions VECTORPHARMA INTERNATIONAL S.P.A. (IT) 1992-04-22 EP disclosed
EP-0381747-A4 WATER SOLUBLE BRANCHED BETA CYCLODEXTRIN STEROID COMPLEX 1991-09-11 EP disclosed
EP-0381747-A1 WATER SOLUBLE BRANCHED BETA CYCLODEXTRIN STEROID COMPLEX AMERICAN MAIZE-PRODUCTS COMPANY (US) 1990-08-16 EP disclosed
WO-1990001320-A1 WATER SOLUBLE BRANCHED BETA CYCLODEXTRIN STEROID COMPLEX AMERICAN MAIZE-PRODUCTS COMPANY (US) 1990-02-22 WO disclosed