SCHEMBL22250079

SCHEMBL22250079

CC(C)(C)c1ccc(C2(c3ccc(C(=O)O)cc3)OCCO2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 1/20 0.57
RXRA P19793 8/20 0.57
RXRB P28702 7/20 0.57
CYP26A1 O43174 2/20 0.57
CYP26B1 Q9NR63 2/20 0.57
RARB P10826 1/20 0.53
RARG P13631 1/20 0.53
RXRG P48443 2/20 0.51
NR1H4 Q96RI1 3/20 0.50
EPHX2 P34913 2/20 0.50
NR4A2 P43354 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
TDP1 Q9NUW8 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 1/20 0.43
MITF O75030 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL22249947 0.90 RXRA (0.56) SRD5A2RXRARXRBCYP26A1CYP26B1
SCHEMBL36693 0.79 SRD5A2 (0.87) SRD5A2RXRARXRBRARBRARG
SCHEMBL205291 0.77 SRD5A2 (0.83) SRD5A2RXRARXRBRARBRARG
Ammonia Solution, Strong SCHEMBL3842685 0.77 SRD5A2 (0.83) SRD5A2RXRARXRBRARBRARG
SCHEMBL9269555 0.77 SRD5A2 (0.83) SRD5A2RXRARXRBRARBRARG
Methane SCHEMBL10959139 0.77 SRD5A2 (0.83) SRD5A2RXRARXRBRARBRARG
SCHEMBL9120613 0.77 SRD5A2 (0.83) SRD5A2RXRARXRBRARBRARG
SCHEMBL2778034 0.77 SRD5A2 (0.83) SRD5A2RXRARXRBRARBRARG
Hydrochloric Acid SCHEMBL1017064 0.77 SRD5A2 (0.83) SRD5A2RXRARXRBRARBRARG
SCHEMBL592353 0.77 SRD5A2 (0.83) SRD5A2RXRARXRBRARBRARG

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
WO-2024097219-A1 COMPOSITIONS AND METHODS FOR TREATING NF1 AND OTHER CONDITIONS LIBY KAREN (US) 2024-05-10 WO disclosed
WO-2020150668-A1 COMPOSITIONS AND METHODS FOR IMMUNE MODULATION AND TREATMENT OF CANCER BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2020-07-23 WO disclosed