SCHEMBL9058770

SCHEMBL9058770

C=CC(CC)C(=O)c1ccccc1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.44
HPGD P15428 6/20 0.44
ALDH1A1 P00352 5/20 0.44
TSHR P16473 4/20 0.44
LMNA P02545 4/20 0.44
HSD17B10 Q99714 3/20 0.44
SMN1; SMN2 Q16637 4/20 0.41
CA1 P00915 3/20 0.41
CA9 Q16790 3/20 0.41
CA12 O43570 1/20 0.41
CA2 P00918 1/20 0.41
HMGB1 P09429 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
CA7 P43166 1/20 0.41
NAPRT Q6XQN6 1/20 0.41
CA14 Q9ULX7 1/20 0.41
GAA P10253 4/20 0.40
MAPT P10636 3/20 0.40
RECQL P46063 1/20 0.40

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
SCHEMBL21592242 0.85 KDM4E (0.45) KDM4EHPGDALDH1A1TSHRLMNA
SCHEMBL7776756 0.77 KDM4E (0.50) KDM4EHPGDALDH1A1TSHRLMNA
Phthalic Acid SCHEMBL368309 0.76 ALDH1A1 (0.50) KDM4EHPGDALDH1A1HSD17B10SMN1; SMN2
SCHEMBL10535966 0.75 KDM4E (0.49) KDM4EHPGDALDH1A1TSHRLMNA
SCHEMBL6285440 0.72 KDM4E (0.44) KDM4EHPGDALDH1A1TSHRLMNA
SCHEMBL4616489 0.72 TSHR (0.49) ALDH1A1TSHRLMNAHSD17B10CA2
SCHEMBL29260548 0.71 KDM4E (0.45) KDM4EHPGDALDH1A1TSHRLMNA
SCHEMBL6426467 0.70 TSHR (0.48) KDM4EHPGDALDH1A1TSHRLMNA
Toluene SCHEMBL6055991 0.70 LMNA (0.41) ALDH1A1TSHRLMNASMN1; SMN2CYP2C19
SCHEMBL5415081 0.70 KDM4E (0.54) KDM4EHPGDALDH1A1TSHRLMNA

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
JP-8262868-A None JP disclosed
JP-H08262868-A DEVELOPING ROLL AND DEVELOPING DEVICE TOKAI RUBBER IND LTD 1996-10-11 JP disclosed