SCHEMBL11836645

SCHEMBL11836645

CC(C)C[C@@H](OC(=O)c1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.57
CREBBP Q92793 1/20 0.57
KMT2A Q03164 2/20 0.51
ALDH1A1 P00352 1/20 0.51
PBRM1 Q86U86 1/20 0.50
MAPT P10636 2/20 0.49
KDM4E B2RXH2 1/20 0.49
APAF1 O14727 1/20 0.49
POLB P06746 1/20 0.49
RECQL P46063 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
GPR84 Q9NQS5 1/20 0.49
LMNA P02545 2/20 0.48
MEN1 O00255 1/20 0.48
ADAM17 P78536 1/20 0.48
HTR3E A5X5Y0 1/20 0.47
HTR3B O95264 1/20 0.47
CHRNA1 P02708 1/20 0.47
CHRNG P07510 1/20 0.47
CYP3A4 P08684 1/20 0.47

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
SCHEMBL3262552 0.82 NR4A2 (0.69) NR4A2CREBBPKMT2AALDH1A1PBRM1
SCHEMBL730525 0.76 NR4A2 (0.69) NR4A2CREBBPKMT2AALDH1A1PBRM1
Hydrochloric Acid SCHEMBL30718988 0.75 NR4A2 (0.67) NR4A2CREBBPKMT2AALDH1A1PBRM1
Hydrochloric Acid SCHEMBL28308377 0.75 NR4A2 (0.67) NR4A2CREBBPKMT2AALDH1A1PBRM1
SCHEMBL11816233 0.74 CCR1 (0.45) KMT2AALDH1A1LMNAMEN1CYP3A4
SCHEMBL11827213 0.74 CCR1 (0.45) LMNA
SCHEMBL30031033 0.74 NR4A2 (1.00) NR4A2CREBBPKMT2AALDH1A1PBRM1
SCHEMBL1093530 0.74 NR4A2 (1.00) NR4A2CREBBPKMT2AALDH1A1PBRM1
SCHEMBL5162767 0.73 KMT2A (0.69) NR4A2CREBBPKMT2AALDH1A1PBRM1
SCHEMBL7615992 0.73 CYP2D6 (0.58) NR4A2CREBBPKMT2AALDH1A1PBRM1

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
US-RE29003-E ANTIBIOTICS HOFFMANN-LA ROCHE INC. (US) 1976-10-12 US disclosed
US-3956323-A ANTIBIOTICS HOFFMANN-LA ROCHE INC. (US) 1976-05-11 US disclosed