SCHEMBL7207050

SCHEMBL7207050

CCCCc1ccc2c(c1)C(C)(C)CCCC2

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SKP2 Q13309 1/20 0.42
SIGMAR1 Q99720 5/20 0.41
RXRA P19793 1/20 0.39
PSMB5 P28074 1/20 0.38
MME P08473 1/20 0.36
EBP Q15125 1/20 0.36
MLNR O43193 1/20 0.36
HTT P42858 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
AVPR2 P30518 1/20 0.35
OXTR P30559 1/20 0.35
AVPR1A P37288 1/20 0.35
NPC1 O15118 1/20 0.35
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL6675410 0.94 SLC6A2 (0.40) SIGMAR1ALDH1A1
SCHEMBL9770704 0.90 SKP2 (0.45) SKP2SIGMAR1RXRAPSMB5MLNR
SCHEMBL27473293 0.84 SLC6A2 (0.42) ALDH1A1
SCHEMBL9770551 0.80 CNR1 (0.39) RXRA
SCHEMBL8981801 0.80 RXRA (0.39) SIGMAR1RXRAEBPNPC1RAB9A
SCHEMBL6909472 0.80 CYP26B1 (0.50) SKP2RXRAHTTNPSR1NPC1
SCHEMBL9075009 0.79 RXRA (0.39) RXRAALDH1A1
SCHEMBL9746555 0.78 MLNR (0.51) SKP2MLNRHTTNPSR1AVPR2
SCHEMBL23472586 0.76 MLNR (0.50) SKP2MLNRHTTNPSR1NPC1
SCHEMBL2091025 0.76 RXRA (0.41) SIGMAR1RXRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6610877-B1 Treating photo and/or age damaged skin HOFFMAN-LA ROCHE INC. 2003-08-26 US disclosed
EP-0641759-B1 Use of aromatic carboxylic derivatives for the preparation of drugs HOFFMANN LA ROCHE (CH) 1998-12-09 EP disclosed
US-5700836-A TOPICALLY ADMINISTERING TO TREAT PHOTODAMAGED SKIN HOFFMANN-LA ROCHE INC. (US) 1997-12-23 US disclosed
EP-0641759-A1 Aromatic carboxylic acid derivatives, their preparation and drugs containing these derivatives F. HOFFMANN-LA ROCHE AG (CH) 1995-03-08 EP disclosed