SCHEMBL9533593

SCHEMBL9533593

CC1=C(C(=O)O)C(c2cnn3ccccc23)C(C(=O)O)=C(C)N1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.40
▸ RAB9A P51151 4/20 0.40
▸ CAMKK1 Q8N5S9 1/20 0.40
▸ CAMKK2 Q96RR4 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ SSTR4 P31391 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ PDE1C Q14123 3/20 0.38
▸ PDE2A O00408 1/20 0.38
▸ PDE5A O76074 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ PDE1A P54750 1/20 0.38

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
SCHEMBL7383037 0.75 CACNA1B (0.36) KDM4EHSD17B10PDE1CPDE2APDE5A
SCHEMBL9532028 0.74 PDE4B (0.51) ALDH1A1PDE1CPDE2APDE5ACYP2C9
SCHEMBL27544295 0.71 TSHR (0.46) ALDH1A1KDM4EHSD17B10LMNAHTT
SCHEMBL7376394 0.70 KDM4E (0.44) NPC1RAB9AALDH1A1KDM4EHSD17B10
SCHEMBL416200 0.70 EPHB3 (0.56) NPC1RAB9ACAMKK1CAMKK2ALDH1A1
SCHEMBL7410687 0.69 CACNA1B (0.61) ALDH1A1GAAMAPTMEN1KMT2A
SCHEMBL8700129 0.69 GAA (0.54) ALDH1A1KDM4EHSD17B10LMNASMN1; SMN2
SCHEMBL3034308 0.69 ALDH1A1 (0.49) ALDH1A1KDM4EHSD17B10LMNAGAA
SCHEMBL3034979 0.69 CACNA1B (0.43) ALDH1A1KDM4EHSD17B10LMNASMN1; SMN2
SCHEMBL10642720 0.69 KDM4E (0.47) ALDH1A1KDM4EHSD17B10LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0270926-B1 AGENTS PROMOTING THE ACTIVITY OF SOME ANTITUMOR AGENTS AND METHODS FOR THEIR PRODUCTION KYORIN SEIYAKU KABUSHIKI KAISHA (JP) 1993-03-17 — — EP claimed
EP-0270926-A2 Agents promoting the activity of some antitumor agents and methods for their production KYORIN SEIYAKU KABUSHIKI KAISHA (JP) 1988-06-15 — — EP claimed
EP-0270926-B1 AGENTS PROMOTING THE ACTIVITY OF SOME ANTITUMOR AGENTS AND METHODS FOR THEIR PRODUCTION KYORIN SEIYAKU KABUSHIKI KAISHA (JP) 1993-03-17 — — EP disclosed
US-4923871-A ANTITUMOR KYORIN SEIYAKU KABUSHIKI KAISHA (JP) 1990-05-08 — — US disclosed
US-4923871-A ANTITUMOR KYORIN SEIYAKU KABUSHIKI KAISHA (JP) 1990-05-08 — — US disclosed
EP-0270926-A2 Agents promoting the activity of some antitumor agents and methods for their production KYORIN SEIYAKU KABUSHIKI KAISHA (JP) 1988-06-15 — — EP disclosed
EP-0270926-A2 Agents promoting the activity of some antitumor agents and methods for their production KYORIN SEIYAKU KABUSHIKI KAISHA (JP) 1988-06-15 — — EP disclosed
Send feedback