SCHEMBL3393688

SCHEMBL3393688

CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)C(O)C[C@@]21C

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 9/20 0.77
CYP3A4 P08684 9/20 0.77
LMNA P02545 5/20 0.77
ALDH1A1 P00352 1/20 0.77
NR3C1 P04150 7/20 0.69
PGR P06401 4/20 0.69
CYP2C9 P11712 4/20 0.69
NR1I2 O75469 1/20 0.69
GAA P10253 1/20 0.69
HTT P42858 1/20 0.69
HSD17B10 Q99714 4/20 0.63
NFKB1 P19838 3/20 0.63
PMP22 Q01453 2/20 0.63
CYP2J2 P51589 1/20 0.63
BLM P54132 1/20 0.63
CYP2C19 P33261 1/20 0.63
TSHR P16473 2/20 0.61
AR P10275 2/20 0.61
MEN1 O00255 1/20 0.61
CYP2D6 P10635 1/20 0.61

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
SCHEMBL3393684 1.00 HIF1A (0.77) HIF1ACYP3A4LMNAALDH1A1NR3C1
SCHEMBL27869024 0.92 HIF1A (0.74) HIF1ACYP3A4LMNAALDH1A1NR3C1
SCHEMBL2705971 0.92 HIF1A (0.74) HIF1ACYP3A4LMNAALDH1A1NR3C1
SCHEMBL1627541 0.92 HIF1A (0.74) HIF1ACYP3A4LMNAALDH1A1NR3C1
SCHEMBL10788659 0.91 HIF1A (0.73) HIF1ACYP3A4LMNAALDH1A1NR3C1
SCHEMBL11818537 0.90 HIF1A (0.71) HIF1ACYP3A4LMNAALDH1A1NR3C1
SCHEMBL11818550 0.90 HIF1A (0.71) HIF1ACYP3A4LMNAALDH1A1NR3C1
SCHEMBL10788664 0.90 HIF1A (0.71) HIF1ACYP3A4LMNAALDH1A1NR3C1
SCHEMBL3764416 0.89 HIF1A (0.79) HIF1ACYP3A4LMNAALDH1A1NR3C1
SCHEMBL11856116 0.89 HIF1A (0.79) HIF1ACYP3A4LMNAALDH1A1NR3C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2246359-A1 Process for obtaining fluorometholone and intermediates therefor Crystal Pharma, S.L.U. (ES) 2010-11-03 EP disclosed
US-3984544-A Retinoic acid esters of steroids of the pregnane series, their use in the treatment of acne and pharmaceutical formulations useful therefor SCHERING CORPORATION (US) 1976-10-05 US disclosed